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Compound Detail

CHEMBL1220

TINIDAZOLE
💊 Approved Drug
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💊 Approved Drug
CCS(=O)(=O)CCn1c([N+](=O)[O-])cnc1C
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1220
Name TINIDAZOLE
Phase Approved
Structure Type MOL
InChI Key HJLSLZFTEKNLFI-UHFFFAOYSA-N
Therapeutic ✓ Yes

Known Names

CP-12,574 CP-12574 Fasigin Fasigyn Haisigyn NSC-758189 Simplotan Symplotan Tindamax Tinidazol Tinidazole Tricolam +1 more
1
Targets
10
Activities
1
Assay Types
10
PK Parameters
20
Publications
13
Known Names
10
Indications
2
Mechanisms

Molecular Properties

247.3
MW (Da)
0.53
ALogP
6
HBA
0
HBD
95.1
PSA (Ų)
0.56
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
First Approval 2004
Availability Prescription
Chirality Achiral

Routes of Administration

Oral

Flags

Black Box Warning Natural Product
USAN Stem -nidazole
USAN Year 1970

Extended Properties

Molecular Formula C8H13N3O4S
MW 247.28
Aromatic Rings 1
Heavy Atoms 16
NP-Likeness -2.05

Mechanism of Action

Mechanism Action Type Target Direct Efficacy
DNA disrupting agent DISRUPTING AGENT DNA ✓ ✓
DNA disrupting agent DISRUPTING AGENT DNA ✓ ✓

Indications

Amebiasis Bacterial Infections Trichomonas Infections Vaginosis, Bacterial Candidiasis Helicobacter Infections Stomach Neoplasms Vaginitis Malaria, Vivax Urethritis

ATC Classification

G01AF21
tinidazole
Level 1: GENITO URINARY SYSTEM AND SEX HORMONES
Level 2: GYNECOLOGICAL ANTIINFECTIVES AND ANTISEPTICS
J01XD02
tinidazole
Level 1: ANTIINFECTIVES FOR SYSTEMIC USE
Level 2: ANTIBACTERIALS FOR SYSTEMIC USE
P01AB02
tinidazole
Level 1: ANTIPARASITIC PRODUCTS, INSECTICIDES AND REPELLENTS
Level 2: ANTIPROTOZOALS

Drug Warnings

Black Box Warning
carcinogenicity
Country: United States

Activity Summary

IC50 10 meas. best 6.52

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Giardia intestinalis
CHEMBL612652
 IC50 6.52 6.52 300.0 10

Pharmacokinetic Data

Parameter Value Units Species
CL 0.6 mL.min-1.kg-1 Homo sapiens
CL 0.5 mL.min-1.kg-1 Homo sapiens
CL 0.6 mL.min-1.kg-1 Homo sapiens
CL 0.6 mL.min-1.kg-1 Homo sapiens
Fu 0.8 - Homo sapiens
Fu 0.8 - Homo sapiens
MRT 16.0 hr Homo sapiens
T1/2 13.0 hr Homo sapiens
T1/2 12.0 hr Not specified
T1/2 12.0 hr -

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Giardia intestinalis IC50 = 300.0 nM 6.52 Antigiardial activity against Giardia duodenalis GS/M-83-H7 (ATCC 50581) incubat... 32869995
Giardia intestinalis IC50 = 300.0 nM 6.52 Antigiardial activity against Giardia duodenalis WB (ATCC 30957) incubated for 3... 32869995
Giardia intestinalis IC50 = 300.0 nM 6.52 Antigiardial activity against Giardia duodenalis G1 incubated for 3 days by fluo... 32869995
Giardia intestinalis IC50 = 300.0 nM 6.52 Antigiardial activity against Giardia duodenalis Ah1 incubated for 3 days by flu... 32869995
Giardia intestinalis IC50 = 300.0 nM 6.52 Antigiardial activity against Giardia duodenalis Ah2 incubated for 3 days by flu... 32869995
Giardia intestinalis IC50 = 300.0 nM 6.52 Antigiardial activity against Giardia duodenalis Ac1 incubated for 3 days by flu... 32869995
Giardia intestinalis IC50 = 300.0 nM 6.52 Antigiardial activity against Giardia duodenalis Ac2 incubated for 3 days by flu... 32869995
Giardia intestinalis IC50 = 300.0 nM 6.52 Antigiardial activity against Giardia duodenalis Ec1 incubated for 3 days by flu... 32869995
Giardia intestinalis IC50 = 300.0 nM 6.52 Antigiardial activity against Giardia duodenalis Ec2 incubated for 3 days by flu... 32869995
Giardia intestinalis IC50 = 300.0 nM 6.52 Antigiardial activity against Giardia lamblia WB (ATCC 30957) incubated for 3 da... 32869995

Literature References

PubMed DOI Target Context # Activities
- 10.6019/CHEMBL3885881 Rattus norvegicus 270
- 10.5281/zenodo.13943903 ADMET 88
31158845 10.1038/s41586-019-1291-3 ADMET 73
22194678 10.1371/journal.pcbi.1002310 Hepatotoxicity 14
15646539 10.1016/s0399-8320(04)95062-2 Unchecked 11
32869995 10.1021/acs.jmedchem.0c00910 Giardia intestinalis 10
3959031 10.1021/jm00154a021 Rattus norvegicus 10
18573937 10.1128/aac.00146-08 Clostridioides difficile 9
15646539 10.1016/s0399-8320(04)95062-2 NON-PROTEIN TARGET 8
20070106 10.1021/jm901371v Homo sapiens 8
25740159 10.1016/j.bmcl.2015.02.013 No relevant target 8
3806622 10.1021/jm00385a027 Rattus norvegicus 6
18426954 10.1124/dmd.108.020479 ADMET 4
31158845 10.1038/s41586-019-1291-3 SGNH hydrolase-type esterase domain-containing protein 3
211235 10.1021/jm00206a012 Trichomonas vaginalis 3
37468498 10.1038/s41467-023-40064-9 Cannabinoid receptor 1 3
37468498 10.1038/s41467-023-40064-9 Alpha-1A adrenergic receptor 3
- 10.6019/CHEMBL4495565 SARS-CoV-2 2
- 10.6019/CHEMBL4651402 SARS-CoV-2 2
- 10.6019/CHEMBL4808148 Histone deacetylase 6 2

Data from ChEMBL 36 via Core Engine